4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one

C15H22F3N3O2 — CID 70724193

IUPAC4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCOCCn1ccnc1C1CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C15H22F3N3O2/c1-23-10-9-20-8-6-19-14(20)12-3-2-7-21(11-12)13(22)4-5-15(16,17)18/h6,8,12H,2-5,7,9-11H2,1H3
InChIKeySDUJTSUQBIKOFK-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.58
Rot. Bonds6

About 4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 70724193) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
PubChem CID70724193
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCOCCn1ccnc1C1CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C15H22F3N3O2/c1-23-10-9-20-8-6-19-14(20)12-3-2-7-21(11-12)13(22)4-5-15(16,17)18/h6,8,12H,2-5,7,9-11H2,1H3
InChIKeySDUJTSUQBIKOFK-UHFFFAOYSA-N
XLogP2.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one (CID 70724193) is 4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one is COCCn1ccnc1C1CCCN(C(=O)CCC(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one?
The InChIKey is SDUJTSUQBIKOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-23-10-9-20-8-6-19-14(20)12-3-2-7-21(11-12)13(22)4-5-15(16,17)18/h6,8,12H,2-5,7,9-11H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 333.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 70724193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).